3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid

C10H18O3 — CID 83817567

IUPAC3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)CCOC1
InChIInChI=1S/C10H18O3/c1-9(2,3)6-10(8(11)12)4-5-13-7-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyHYSOLHHQJWLRKN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds2

About 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid

3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid (PubChem CID 83817567) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
PubChem CID83817567
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)CCOC1
InChIInChI=1S/C10H18O3/c1-9(2,3)6-10(8(11)12)4-5-13-7-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyHYSOLHHQJWLRKN-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ncgc00385958-01_C9H14O5_
CID 102571607
2-Methyl-2-(oxolan-2-yl)propanoic acid
CID 20260991
3-Ethyloxolane-3-carboxylic acid
CID 62740785
2-(Propan-2-yl)oxolane-3-carboxylic acid
CID 79026828
3-Cyclopropyloxolane-3-carboxylic acid
CID 83815487
6-Oxaspiro(3.4)octane-8-carboxylic acid
CID 129968447
3,5,5-Trimethyloxolane-3-carboxylic acid
CID 131550164
2-(4,4-Dimethyloxolan-2-yl)acetic acid
CID 137838525
Ethyl 2-oxo-3-propyloxolane-3-carboxylate
CID 257367
3-(3-Hydroxypentan-3-yl)oxolan-2-one
CID 11206043
Ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate
CID 102166125
2-Methyl-3-(2-oxo-3-propoxymethyltetrahydro-3-furyl)propanoic acid
CID 129741957

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid (CID 83817567) is 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid is CC(C)(C)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid?
The InChIKey is HYSOLHHQJWLRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,3)6-10(8(11)12)4-5-13-7-10/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid?
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 83817567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).